MMsINC Database Search


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MMsINC code: MMs00193416

Type: Neutral
Formula: C₂₄H₁₇NO₂

SMILES:

O=C1N(C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3)c1ccccc1

InChI:

InChI=1/C24H17NO2/c26-23-21-19-15-10-4-5-11-16(15)20(18-13-7-6-12-17(18)19)22(21)24(27)25(23)14-8-2-1-3-9-14/h1-13,19-22H/t19-,20+,21-,22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.987 kcal/mol

Physical Properties
Molecular Weight: 351.405 g/mol	logS: -5.18275	SlogP: 4.0832	Reactive groups: 0

Topological Properties
Globularity: 0.18803	Sterimol/B1: 4.1042	Sterimol/B2: 4.18021	Sterimol/B3: 4.75307
Sterimol/B4: 6.23239	Sterimol/L: 15.0486

Surface and Volume Properties
Accessible surface: 570.601	Positive charged surface: 302.527	Negative charged surface: 268.074	Volume: 333.5
Hydrophobic surface: 509.718	Hydrophilic surface: 60.883

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

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

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Ions/Tautomers related molecules: no related molecules available.