MMsINC Database Search


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MMsINC code: MMs00726210

Type: Neutral
Formula: C₂₇H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)C(NC(=O)c1ccc(cc1)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H23NO2/c1-30-25-18-16-23(17-19-25)26(22-10-6-3-7-11-22)28-27(29)24-14-12-21(13-15-24)20-8-4-2-5-9-20/h2-19,26H,1H3,(H,28,29)/t26-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.461 kcal/mol

Physical Properties
Molecular Weight: 393.486 g/mol	logS: -7.54357	SlogP: 5.9771	Reactive groups: 0

Topological Properties
Globularity: 0.0786072	Sterimol/B1: 2.28778	Sterimol/B2: 4.395	Sterimol/B3: 4.50761
Sterimol/B4: 10.7962	Sterimol/L: 18.302

Surface and Volume Properties
Accessible surface: 703.458	Positive charged surface: 385.81	Negative charged surface: 308.686	Volume: 400.625
Hydrophobic surface: 661.567	Hydrophilic surface: 41.891

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

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Ions/Tautomers related molecules: no related molecules available.