MMsINC Database Search


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MMsINC code: MMs00935203

Type: Neutral
Formula: C₂₇H₂₃NO₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)C2C1C(C=CC2c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H23NO2/c29-26-24-22(20-12-6-2-7-13-20)16-17-23(21-14-8-3-9-15-21)25(24)27(30)28(26)18-19-10-4-1-5-11-19/h1-17,22-25H,18H2/t22-,23+,24+,25-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.307 kcal/mol

Physical Properties
Molecular Weight: 393.486 g/mol	logS: -5.53665	SlogP: 5.1916	Reactive groups: 0

Topological Properties
Globularity: 0.301679	Sterimol/B1: 3.06548	Sterimol/B2: 4.32138	Sterimol/B3: 5.18801
Sterimol/B4: 8.70844	Sterimol/L: 12.9545

Surface and Volume Properties
Accessible surface: 598.933	Positive charged surface: 361.04	Negative charged surface: 237.894	Volume: 385.125
Hydrophobic surface: 553.742	Hydrophilic surface: 45.191

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.