MMsINC Database Search


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MMsINC code: MMs03216514

Type: Neutral
Formula: C₁₉H₁₅N

SMILES:

n1c2c(ccc(c2)C)c(c2c3c(ccc12)cccc3)C

InChI:

InChI=1/C19H15N/c1-12-7-9-15-13(2)19-16-6-4-3-5-14(16)8-10-17(19)20-18(15)11-12/h3-11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.021 kcal/mol

Physical Properties
Molecular Weight: 257.336 g/mol	logS: -6.64582	SlogP: 5.15804	Reactive groups: 0

Topological Properties
Globularity: 0.0188263	Sterimol/B1: 2.41461	Sterimol/B2: 2.92864	Sterimol/B3: 4.6042
Sterimol/B4: 4.85394	Sterimol/L: 15.2175

Surface and Volume Properties
Accessible surface: 480.062	Positive charged surface: 260.711	Negative charged surface: 202.052	Volume: 263.5
Hydrophobic surface: 453.181	Hydrophilic surface: 26.881

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.