MMsINC Database Search


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MMsINC code: MMs00562128

Type: Neutral
Formula: C₃₁H₂₃N

SMILES:

n1(c2c(c3c1cccc3)cccc2)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C31H23N/c1-4-14-24(15-5-1)31(25-16-6-2-7-17-25,26-18-8-3-9-19-26)32-29-22-12-10-20-27(29)28-21-11-13-23-30(28)32/h1-23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=211.923 kcal/mol

Physical Properties
Molecular Weight: 409.532 g/mol	logS: -8.71917	SlogP: 7.9462	Reactive groups: 0

Topological Properties
Globularity: 0.605612	Sterimol/B1: 2.61406	Sterimol/B2: 3.06342	Sterimol/B3: 8.4536
Sterimol/B4: 9.34601	Sterimol/L: 12.3113

Surface and Volume Properties
Accessible surface: 637.786	Positive charged surface: 349.878	Negative charged surface: 280.354	Volume: 413.875
Hydrophobic surface: 637.786	Hydrophilic surface: 0

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.