MMsINC Database Search


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MMsINC code: MMs02817882

Type: Neutral
Formula: C₂₇H₂₁N

SMILES:

n1(c2c(cc1-c1ccc(cc1)-c1ccccc1)cccc2)Cc1ccccc1

InChI:

InChI=1/C27H21N/c1-3-9-21(10-4-1)20-28-26-14-8-7-13-25(26)19-27(28)24-17-15-23(16-18-24)22-11-5-2-6-12-22/h1-19H,20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.351 kcal/mol

Physical Properties
Molecular Weight: 359.472 g/mol	logS: -8.15825	SlogP: 7.29	Reactive groups: 0

Topological Properties
Globularity: 0.0902558	Sterimol/B1: 2.19016	Sterimol/B2: 2.29938	Sterimol/B3: 4.99
Sterimol/B4: 9.26619	Sterimol/L: 18.0168

Surface and Volume Properties
Accessible surface: 629.555	Positive charged surface: 320.155	Negative charged surface: 294.263	Volume: 378.125
Hydrophobic surface: 617.295	Hydrophilic surface: 12.26

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

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.