MMsINC Database Search


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MMsINC code: MMs02674257

Type: Neutral
Formula: C₁₄H₁₅NO

SMILES:

Oc1ccc(cc1)CNc1ccc(cc1)C

InChI:

InChI=1/C14H15NO/c1-11-2-6-13(7-3-11)15-10-12-4-8-14(16)9-5-12/h2-9,15-16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.8814 kcal/mol

Physical Properties
Molecular Weight: 213.28 g/mol	logS: -3.06121	SlogP: 3.57912	Reactive groups: 0

Topological Properties
Globularity: 0.0590816	Sterimol/B1: 3.47142	Sterimol/B2: 3.61967	Sterimol/B3: 3.62395
Sterimol/B4: 3.96003	Sterimol/L: 15.8078

Surface and Volume Properties
Accessible surface: 464.177	Positive charged surface: 281.009	Negative charged surface: 183.168	Volume: 227.25
Hydrophobic surface: 392.875	Hydrophilic surface: 71.302

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.